(2R,4R)-2-ethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]-6-oxopiperidine-4-carboxamide

C18H31N3O3 — CID 99783216

IUPAC(2R,4R)-2-ethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]-6-oxopiperidine-4-carboxamide
SMILESCC[C@@H]1C[C@@H](C(=O)NC2CCN(C(=O)CC(C)C)CC2)CC(=O)N1
InChIInChI=1S/C18H31N3O3/c1-4-14-10-13(11-16(22)19-14)18(24)20-15-5-7-21(8-6-15)17(23)9-12(2)3/h12-15H,4-11H2,1-3H3,(H,19,22)(H,20,24)/t13-,14-/m1/s1
InChIKeyLVZVWSHSWMWUBM-ZIAGYGMSSA-N
MW337.46 g/mol
LogP1.44
Rot. Bonds5

About (2R,4R)-2-ethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]-6-oxopiperidine-4-carboxamide

(2R,4R)-2-ethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]-6-oxopiperidine-4-carboxamide (PubChem CID 99783216) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is (2R,4R)-2-ethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]-6-oxopiperidine-4-carboxamide.

Molecular Properties

Compound Name(2R,4R)-2-ethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]-6-oxopiperidine-4-carboxamide
PubChem CID99783216
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC Name(2R,4R)-2-ethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]-6-oxopiperidine-4-carboxamide
SMILESCC[C@@H]1C[C@@H](C(=O)NC2CCN(C(=O)CC(C)C)CC2)CC(=O)N1
InChIInChI=1S/C18H31N3O3/c1-4-14-10-13(11-16(22)19-14)18(24)20-15-5-7-21(8-6-15)17(23)9-12(2)3/h12-15H,4-11H2,1-3H3,(H,19,22)(H,20,24)/t13-,14-/m1/s1
InChIKeyLVZVWSHSWMWUBM-ZIAGYGMSSA-N
XLogP1.44
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(3-methylbutanoyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119182817
3,3-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]butanamide
CID 110819637
N-[1-(3-methylbutanoyl)piperidin-4-yl]azetidine-1-carboxamide
CID 122156176
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methylbutanamide
CID 110822230
3,5-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 51093731
N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylbutanamide
CID 51093701
N-(1-butanoylpiperidin-4-yl)cyclopropanecarboxamide
CID 60758370
N-[1-(3-methylbutanoyl)piperidin-4-yl]formamide
CID 130209713
1-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]cyclopentane-1-carboxamide
CID 119307388
N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide
CID 119755741
1-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylurea
CID 110638001
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 110822231

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-ethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]-6-oxopiperidine-4-carboxamide?
The IUPAC name of (2R,4R)-2-ethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]-6-oxopiperidine-4-carboxamide (CID 99783216) is (2R,4R)-2-ethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]-6-oxopiperidine-4-carboxamide.
What is the SMILES notation for (2R,4R)-2-ethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]-6-oxopiperidine-4-carboxamide?
The canonical SMILES for (2R,4R)-2-ethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]-6-oxopiperidine-4-carboxamide is CC[C@@H]1C[C@@H](C(=O)NC2CCN(C(=O)CC(C)C)CC2)CC(=O)N1.
What is the InChIKey of (2R,4R)-2-ethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]-6-oxopiperidine-4-carboxamide?
The InChIKey is LVZVWSHSWMWUBM-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H31N3O3/c1-4-14-10-13(11-16(22)19-14)18(24)20-15-5-7-21(8-6-15)17(23)9-12(2)3/h12-15H,4-11H2,1-3H3,(H,19,22)(H,20,24)/t13-,14-/m1/s1.
What are the key properties of (2R,4R)-2-ethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]-6-oxopiperidine-4-carboxamide?
(2R,4R)-2-ethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]-6-oxopiperidine-4-carboxamide has a molecular weight of 337.46 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-ethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]-6-oxopiperidine-4-carboxamide is sourced from PubChem (CID 99783216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).